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agmatidine

PropertiesImage
MNX_IDMNXM40459 Image of MNXM40459
referencechebi:64327
formulaC14H27N7O4
global charge2
mol weight357.415
InChIKeyNHQSDCRALZPVAJ-HJQYOEGKSA-P
InChIInChI=1S/C14H25N7O4/c15-9-3-6-21(12-11(24)10(23)8(7-22)25-12)14(20-9)19-5-2-1-4-18-13(16)17/h3,6,8,10-12,22-24H,1-2,4-5,7H2,(H2,15,19,20)(H4,16,17,18)/p+2/t8-,10-,11-,12-/m1/s1
SMILESN=C1C=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(NCCCCNC(N)=[NH2+])=[NH+]1
MNX internals
InChI (mnx)InChI=1/C14H25N7O4/c15-9-3-6-21(12-11(24)10(23)8(7-22)25-12)14(20-9)19-5-2-1-4-18-13(16)17/h3,6,8,10-12,22-24H,1-2,4-5,7H2,(H2,15,19,20)(H4,16,17,18)/t8-,10-,11-,12-/m1/s1 Image of MNXM40459
SMILES (mnx)[CH2:1]([CH2:2][CH2:5][N:19]=[C:14]1[NH:20][C:9](=[NH:15])[CH:3]=[CH:6][N:21]1[C@H:12]1[C@H:11]([OH:24])[C@H:10]([OH:23])[C@@H:8]([CH2:7][OH:22])[O:25]1)[CH2:4][NH:18][C:13](=[NH:16])[NH2:17]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:64327
chebi:64327
NHQSDCRALZPVAJ-HJQYOEGKSA-P 		agmatidine
2-[(4-{[amino(iminio)methyl]amino}butyl)amino]-6-imino-3-(beta-D-ribofuranosyl)-3,6-dihydropyrimidin-1-ium
2-agmatinylcytidine
agm(2)C
agmatidine dication
agmatidine(2+)
agmatidinium(2+)

metacyc.compound:CPD-18267
metacycM:CPD-18267
seed.compound:cpd32841
seedM:cpd32841
NHQSDCRALZPVAJ-HJQYOEGKSA-P 		agmatidine

CHEBI:64329
chebi:64329
NHQSDCRALZPVAJ-HJQYOEGKSA-N 		agmatidine
N-(4-carbamimidamidobutyl)-4-imino-1-(beta-D-ribofuranosyl)-1,4-dihydropyrimidin-2-amine
agm(2)C

seedM:M_cpd32841 		secondary/obsolete/fantasy identifier